1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C20H25N3O3S — CID 87032919

IUPAC1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-3-16-5-7-18(8-6-16)27(25,26)23-12-10-17(11-13-23)20(24)22-19-9-4-15(2)14-21-19/h4-9,14,17H,3,10-13H2,1-2H3,(H,21,22,24)
InChIKeyRFVUFQCQIQRBQR-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.99
Rot. Bonds5

About 1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 87032919) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID87032919
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-3-16-5-7-18(8-6-16)27(25,26)23-12-10-17(11-13-23)20(24)22-19-9-4-15(2)14-21-19/h4-9,14,17H,3,10-13H2,1-2H3,(H,21,22,24)
InChIKeyRFVUFQCQIQRBQR-UHFFFAOYSA-N
XLogP2.99
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-2-pyridinyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 25162169
N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55913923
(3R)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028129
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
N-(5-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 32697328
4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
CID 24982872
1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 9078108
1-(4-ethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 113004556
N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55363461
1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810037
N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151854
N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100795683

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 87032919) is 1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is CCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is RFVUFQCQIQRBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-3-16-5-7-18(8-6-16)27(25,26)23-12-10-17(11-13-23)20(24)22-19-9-4-15(2)14-21-19/h4-9,14,17H,3,10-13H2,1-2H3,(H,21,22,24).
What are the key properties of 1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 87032919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).